Geometry & MOs

Info

ID:	208198
PubChem CID:	80503267
Reduced:	SN4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	62.19
Dipole, Da:	3.56
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylimidazol-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=NC(=CS2)CCN

DOS

IR

Vibrations